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78326-88-2 | 5-(Benzyloxy)-2,3-dihydro-1H-inden-1-one
CAS No: 78326-88-2 Catalog No: AG0053PW MDL No:MFCD00598574
Product Description
Catalog Number:
AG0053PW
Chemical Name:
5-(Benzyloxy)-2,3-dihydro-1H-inden-1-one
CAS Number:
78326-88-2
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
MDL Number:
MFCD00598574
IUPAC Name:
5-phenylmethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C16H14O2/c17-16-9-6-13-10-14(7-8-15(13)16)18-11-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2
InChI Key:
LYTKODVZMLEVSA-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1ccc(c2)OCc1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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